Geometry & MOs

Info

ID:	133504
PubChem CID:	51537630
Reduced:	ClN3O3C27H37 (1)
Stoich.:	AB3C3D27E37 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	6.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.028190
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)[C@@H]3CC[NH+](C[C@@H]3CCC(=O)OC)CC4=CC=CC=C4Cl

DOS

IR

Vibrations